Toward Automated Variational Computation of Rovibrational Resonances, Including a Case Study of the H2 Dimer-Reference-Cited by-同舟云学术

Toward Automated Variational Computation of Rovibrational Resonances, Including a Case Study of the H2 Dimer

Published:2019-05-30 Issue:7 Volume:15 Page:4156-4169
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Simkó Irén¹,Szidarovszky Tamás¹²^ORCID,Császár Attila G.¹²^ORCID

Affiliation:

1. Laboratory of Molecular Structure and Dynamics, Institute of Chemistry, ELTE Eötvös Loránd University, Pázmány Péter sétány 1/A, H-1117 Budapest, Hungary

2. MTA-ELTE Complex Chemical Systems Research Group, ELTE Eötvös Loránd University, Pázmány Péter sétány 1/A, H-1117 Budapest, Hungary

Funder

European Commission

European Regional Development Fund

NKFIH

State of Hungary

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00314

Reference51 articles.

1. A direct measurement of the dissociation energy of water

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